4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one

C14H23ClN4O — CID 114444303

IUPAC4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-11-3-5-16-6-4-11/h8,10-11,16-17H,3-7,9H2,1-2H3
InChIKeyAMSZEUXTTIUFMV-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.96
Rot. Bonds5

About 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one

4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one (PubChem CID 114444303) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
PubChem CID114444303
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-11-3-5-16-6-4-11/h8,10-11,16-17H,3-7,9H2,1-2H3
InChIKeyAMSZEUXTTIUFMV-UHFFFAOYSA-N
XLogP1.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444318
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973422
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
4-chloro-2-(2-methylpropyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107489264
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439142
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one (CID 114444303) is 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one is CC(C)Cn1ncc(NCC2CCNCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
The InChIKey is AMSZEUXTTIUFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-10(2)9-19-14(20)13(15)12(8-18-19)17-7-11-3-5-16-6-4-11/h8,10-11,16-17H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one has a molecular weight of 298.82 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114444303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).